In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 2010 | 31 | Yes |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.32 | 6.62 | -12.72 | 3 | 6 | 0 | 89 | 431.879 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.32 | 7.38 | -50.86 | 2 | 6 | -1 | 92 | 430.871 | 4 | ↓ |